2-(3-acetamidophenyl)-5-methoxybenzoic acid

C16H15NO4 — CID 53227035

IUPAC2-(3-acetamidophenyl)-5-methoxybenzoic acid
SMILESCOc1ccc(-c2cccc(NC(C)=O)c2)c(C(=O)O)c1
InChIInChI=1S/C16H15NO4/c1-10(18)17-12-5-3-4-11(8-12)14-7-6-13(21-2)9-15(14)16(19)20/h3-9H,1-2H3,(H,17,18)(H,19,20)
InChIKeyIFWZNUWWHHLIMG-UHFFFAOYSA-N
MW285.30 g/mol
LogP3.02
Rot. Bonds4

About 2-(3-acetamidophenyl)-5-methoxybenzoic acid

2-(3-acetamidophenyl)-5-methoxybenzoic acid (PubChem CID 53227035) has the molecular formula C16H15NO4 and a molecular weight of 285.30 g/mol. Its IUPAC name is 2-(3-acetamidophenyl)-5-methoxybenzoic acid.

Molecular Properties

Compound Name2-(3-acetamidophenyl)-5-methoxybenzoic acid
PubChem CID53227035
Molecular FormulaC16H15NO4
Molecular Weight285.30 g/mol
Exact Mass285.10
IUPAC Name2-(3-acetamidophenyl)-5-methoxybenzoic acid
SMILESCOc1ccc(-c2cccc(NC(C)=O)c2)c(C(=O)O)c1
InChIInChI=1S/C16H15NO4/c1-10(18)17-12-5-3-4-11(8-12)14-7-6-13(21-2)9-15(14)16(19)20/h3-9H,1-2H3,(H,17,18)(H,19,20)
InChIKeyIFWZNUWWHHLIMG-UHFFFAOYSA-N
XLogP3.02
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-methoxy-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]benzoic acid
CID 53228883
5-methoxy-2-(4-methoxyphenyl)benzoic acid
CID 2060525
5-chloro-2-(3-methoxyphenyl)benzoic acid
CID 39232676
methane;N-(3-methoxyphenyl)acetamide
CID 161026095
2-[3-iodo-4-(3-iodophenyl)phenyl]-5-methoxybenzoic acid
CID 130342644
5-methoxy-2-[3-(2-methylpropyl)phenyl]benzoic acid
CID 116545184
6-acetamido-2-(3-methoxyphenyl)quinoline-4-carboxylic acid
CID 18073446
3-(3-acetamidophenyl)pyridine-4-carboxylic acid
CID 53223642
2-(4-fluorophenyl)-5-methoxybenzoic acid
CID 15461737
N-[3-[(3-methoxyphenyl)carbamoylamino]phenyl]acetamide
CID 6467465
2-(4-fluoro-3-methoxycarbonylphenyl)-5-methoxybenzoic acid
CID 53228031
5-(3-acetamidophenyl)-2-hydroxybenzoic acid
CID 10978560

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetamidophenyl)-5-methoxybenzoic acid?
The IUPAC name of 2-(3-acetamidophenyl)-5-methoxybenzoic acid (CID 53227035) is 2-(3-acetamidophenyl)-5-methoxybenzoic acid.
What is the SMILES notation for 2-(3-acetamidophenyl)-5-methoxybenzoic acid?
The canonical SMILES for 2-(3-acetamidophenyl)-5-methoxybenzoic acid is COc1ccc(-c2cccc(NC(C)=O)c2)c(C(=O)O)c1.
What is the InChIKey of 2-(3-acetamidophenyl)-5-methoxybenzoic acid?
The InChIKey is IFWZNUWWHHLIMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO4/c1-10(18)17-12-5-3-4-11(8-12)14-7-6-13(21-2)9-15(14)16(19)20/h3-9H,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 2-(3-acetamidophenyl)-5-methoxybenzoic acid?
2-(3-acetamidophenyl)-5-methoxybenzoic acid has a molecular weight of 285.30 g/mol, XLogP of 3.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetamidophenyl)-5-methoxybenzoic acid is sourced from PubChem (CID 53227035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).